1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine

C19H37N3 — CID 174275638

IUPAC1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine
SMILESCCCC1(CN2CC[C@H](CN3CCN(C(C)C)CC3)C2)CC1
InChIInChI=1S/C19H37N3/c1-4-6-19(7-8-19)16-21-9-5-18(15-21)14-20-10-12-22(13-11-20)17(2)3/h17-18H,4-16H2,1-3H3/t18-/m1/s1
InChIKeyVGUOMCIQBYCVBK-GOSISDBHSA-N
MW307.53 g/mol
LogP2.91
Rot. Bonds7

About 1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine

1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine (PubChem CID 174275638) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is 1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine.

Molecular Properties

Compound Name1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine
PubChem CID174275638
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC Name1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine
SMILESCCCC1(CN2CC[C@H](CN3CCN(C(C)C)CC3)C2)CC1
InChIInChI=1S/C19H37N3/c1-4-6-19(7-8-19)16-21-9-5-18(15-21)14-20-10-12-22(13-11-20)17(2)3/h17-18H,4-16H2,1-3H3/t18-/m1/s1
InChIKeyVGUOMCIQBYCVBK-GOSISDBHSA-N
XLogP2.91
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
1-butan-2-yl-4-[[(3R)-1-[[1-(2-methylpropyl)cyclopropyl]methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174276613
1-butan-2-yl-4-[[1-[[1-(2-methylbutyl)cyclopropyl]methyl]pyrrolidin-3-yl]methyl]piperazine
CID 174276612
1-[[1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 171748431
1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
CID 171748359
1-propan-2-yl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperazine;1-propan-2-yl-4-[(4-propan-2-ylpiperidin-1-yl)methyl]piperidine
CID 167695333
1-[(1-ethylazetidin-3-yl)methyl]-4-propan-2-ylpiperazine
CID 134414100
4-[(3-ethylpyrrolidin-1-yl)methyl]-4-propylpiperidine
CID 113417902
2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174275793
4-[(3-butyl-3-propylpyrrolidin-1-yl)methyl]-1-propan-2-ylpiperidine
CID 174291983
1-(cyclopropylmethyl)-4-propan-2-ylpiperazine;N-[(1-propan-2-yl-3-propylpyrrolidin-3-yl)methyl]ethenamine
CID 170740010
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine?
The IUPAC name of 1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine (CID 174275638) is 1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine.
What is the SMILES notation for 1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine?
The canonical SMILES for 1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine is CCCC1(CN2CC[C@H](CN3CCN(C(C)C)CC3)C2)CC1.
What is the InChIKey of 1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine?
The InChIKey is VGUOMCIQBYCVBK-GOSISDBHSA-N. The full InChI is InChI=1S/C19H37N3/c1-4-6-19(7-8-19)16-21-9-5-18(15-21)14-20-10-12-22(13-11-20)17(2)3/h17-18H,4-16H2,1-3H3/t18-/m1/s1.
What are the key properties of 1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine?
1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine has a molecular weight of 307.53 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-4-[[(3S)-1-[(1-propylcyclopropyl)methyl]pyrrolidin-3-yl]methyl]piperazine is sourced from PubChem (CID 174275638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).